NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7381 8.2833 119.2085 53.2647 41.5362 175.6632 6 P 4.2192 0.0000 0.0000 64.4048 31.9959 177.1359 7 L 4.0667 8.6757 119.4050 57.4952 41.9427 178.6407 8 E 3.8674 7.9242 118.5689 59.3808 29.4584 179.2002 9 A 4.2159 8.0672 120.3129 55.2953 18.4994 179.3293 10 Q 3.9226 8.0567 117.5446 59.0472 29.1425 178.1010 11 A 3.8739 8.3263 122.2735 55.0383 18.3407 179.6554 12 W 4.2326 8.1937 117.2030 59.9193 28.9136 178.5764 13 A 4.2322 7.9357 119.5791 55.2812 18.2227 179.4096 14 L 4.1051 8.1184 117.4682 57.9710 41.6585 179.7678 15 L 4.0481 8.0769 118.9209 57.5391 41.3567 178.8694 16 E 4.2557 8.4159 116.7577 57.8065 29.4805 177.7802 17 A 4.7733 7.5373 119.3699 50.9618 19.8643 176.4440 18 V 4.1965 7.4510 119.4060 61.7751 32.7620 174.4153 19 Y 4.9098 8.7099 125.4946 56.3389 40.4863 174.7655 20 D 4.6524 9.1549 123.4025 52.5985 41.8990 175.2775 21 P 4.2807 0.0000 0.0000 66.0416 31.4511 177.5534 22 E 4.1001 8.2620 117.2096 58.3905 28.6619 177.5675 23 L 4.4421 8.2052 116.5648 53.7346 42.8025 177.5692 24 G 3.9030 8.5489 106.6403 46.2053 0.0000 173.3489 25 L 5.0090 7.2402 115.3041 51.6466 45.6146 176.1114 26 D 4.3277 7.6916 120.2160 53.0023 41.5731 177.9040 27 V 3.5439 8.2314 114.8285 64.3047 31.5424 179.4165 28 V 3.6672 7.6924 117.7214 66.2469 31.5909 177.7790 29 N 4.4446 8.7121 116.0445 55.7385 38.1102 177.2812 30 L 4.2138 7.6929 119.7788 55.7021 41.6909 177.8792 31 G 4.2085 7.7650 105.4920 47.1601 0.0000 174.5309 32 L 3.9377 7.8736 120.4628 55.8859 41.9070 177.2461 33 I 4.1481 7.6789 119.7908 60.6168 37.3999 174.7979 34 Y 4.8622 8.7542 124.5390 60.1412 38.9226 175.6756 35 D 4.8775 7.9330 116.1945 53.3093 45.0053 174.1933 36 L 4.8611 8.4029 125.4088 53.8465 45.2234 174.9342 37 V 4.3668 9.5518 126.3051 61.2059 34.7130 174.1442 38 V 4.3630 8.8073 128.7684 61.4527 32.8993 175.2163 39 E 4.5421 9.3026 128.6875 52.8311 30.4605 172.5071 40 P 4.3599 0.0000 0.0000 62.1401 32.2186 174.2352 41 P 5.5515 0.0000 0.0000 62.6011 32.5300 175.3040 42 R 5.2995 8.4231 119.2380 54.7252 33.8756 174.4677 43 A 5.1677 8.8937 122.8973 50.3337 22.5876 174.3982 44 Y 5.2729 9.4673 123.3622 55.6705 42.3438 174.6839 45 V 4.4684 7.9806 124.8399 59.8486 35.0251 174.0685 46 R 4.9243 8.2944 124.2134 53.8908 32.9999 175.0087 *48 T 4.0107 8.0940 117.5565 61.9426 68.2471 172.0406 49 L 4.6568 7.8312 121.1446 52.7173 44.7233 177.0757 50 T 3.6332 7.9936 109.3563 63.0006 69.2200 174.6594 51 T 4.7879 7.4419 111.3839 58.8904 71.8256 171.7539 52 P 3.8260 0.0000 0.0000 62.7378 32.3271 176.2557 53 G 3.8075 7.6327 106.5053 46.1615 0.0000 173.0775 54 C 4.4987 8.4449 121.4079 58.4857 28.6987 172.1418 55 P 4.6038 0.0000 0.0000 62.0365 31.9758 176.4583 56 L 4.0493 8.4797 119.2188 57.4928 41.6690 177.2469 57 H 4.5911 7.8267 117.2245 53.6848 31.8749 173.1755 58 D 4.6079 8.2615 127.6184 53.1614 39.6207 176.1392 59 S 4.2002 8.2718 121.5039 60.9272 63.1878 175.5958 60 L 3.9927 7.9500 122.7516 58.1327 41.9554 179.1385 61 G 3.5051 8.5561 105.8817 47.6065 0.0000 175.3480 62 E 3.8943 8.0711 121.3728 58.9627 29.5683 178.7305 63 A 3.9454 8.1334 121.1270 55.0804 18.3963 179.7685 64 V 3.4352 7.8653 116.7979 65.9641 31.5890 178.1266 65 R 3.7903 7.9834 118.3843 59.5774 29.7117 178.3532 66 Q 3.9465 7.9690 116.1287 58.8949 29.0371 178.4589 67 A 4.1251 8.1899 121.8648 55.4539 18.4754 179.8334 68 L 3.9574 8.0575 117.4805 57.5954 41.4224 179.5558 69 S 4.2908 7.8760 112.9081 60.4078 63.0479 175.8802 70 R 4.1286 7.5927 120.7417 56.6546 30.7143 176.7712 71 L 4.1016 7.4655 120.7034 53.5730 42.2312 174.7808 72 P 4.4355 0.0000 0.0000 64.1137 31.8498 176.8529 73 G 3.8696 9.0418 111.0130 45.0689 0.0000 172.6147 74 V 4.3799 7.2670 119.4998 62.1036 31.8225 174.9130 75 E 4.6173 9.0129 127.1353 56.4591 31.8929 176.3400 76 E 4.7304 8.0931 118.4270 54.2414 33.2603 175.1165 77 V 4.7287 8.4282 123.3667 61.0828 34.2782 173.9296 78 E 4.4850 9.2670 130.0869 54.7064 31.2900 174.6397 79 V 4.4701 8.3623 127.7250 61.3726 33.0366 174.5159 80 E 4.4202 8.7814 129.5604 54.9485 31.0610 175.5351 81 V 4.0704 8.2065 125.5167 61.5007 32.4390 174.7322 82 T 4.4966 8.0383 121.0811 60.4100 70.5828 173.3804 83 F 4.9924 8.6429 119.6640 56.9247 39.8378 175.2341 84 E 4.6533 8.4359 121.1635 53.8873 30.4654 174.2366 85 P 4.6995 0.0000 0.0000 60.9589 32.6411 174.4669 86 P 4.7674 0.0000 0.0000 62.5072 32.0427 175.7734 87 W 4.7545 8.8544 130.3486 57.0070 32.0410 175.2387 88 T 4.2475 6.7485 112.2047 59.5478 71.4254 174.6116 89 L 3.5806 7.8706 121.1231 56.9999 41.7032 179.3351 90 A 4.1118 7.2820 120.4307 54.2892 18.3692 178.2870 91 R 4.3067 7.5546 114.1272 56.1984 30.6197 176.7189 92 L 4.4189 7.5061 119.0928 54.6296 42.3108 177.2467 93 S 4.4430 8.6718 116.9611 57.5032 63.9999 174.9830 94 E 3.9122 8.5935 121.3888 59.2476 29.4000 178.5305 95 K 4.0454 7.9419 119.1949 59.2308 32.4402 178.5661 96 A 3.9698 8.1242 121.6718 54.7920 18.0821 178.9529 97 R 3.5392 7.8358 113.6088 56.2683 29.8620 177.9817 98 R 4.5874 7.4782 113.5155 56.2233 31.3140 175.7155 99 L 4.2714 7.5736 117.8936 56.3655 42.2910 177.9905 100 L 4.1088 8.0722 117.8854 57.4596 41.9689 176.4393 101 G 3.5601 8.5095 108.5471 45.2969 0.0000 173.4537 102 W 4.6530 7.6007 122.5490 57.4284 29.1279 175.7229 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 N 8.28 4.74 0.00 2.79 2.72 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.22 0.00 2.29 2.09 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 7 L 8.68 4.07 0.00 1.68 1.69 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.92 3.87 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 9 A 8.07 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.06 3.92 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 11 A 8.33 3.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 W 8.19 4.23 0.00 3.58 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.94 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.12 4.11 0.00 1.86 1.70 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.08 4.05 0.00 1.91 1.72 0.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.42 4.26 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 17 A 7.54 4.77 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.45 4.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 19 Y 8.71 4.91 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.15 4.65 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.28 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 22 E 8.26 4.10 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 23 L 8.21 4.44 0.00 1.72 1.72 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.55 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.24 5.01 0.00 1.64 1.46 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.69 4.33 0.00 2.51 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.23 3.54 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.91 0.00 0.00 28 V 7.69 3.67 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.20 0.00 0.00 29 N 8.71 4.44 0.00 2.79 2.79 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.69 4.21 0.00 1.80 1.73 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.76 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 3.94 0.00 1.63 1.60 0.62 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.68 4.15 2.21 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.94 0.00 0.00 34 Y 8.75 4.86 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.93 4.88 0.00 2.93 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.40 4.86 0.00 1.25 1.26 0.65 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.55 4.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.06 0.00 0.00 38 V 8.81 4.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.81 0.00 0.00 39 E 9.30 4.54 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 40 P 0.00 4.36 0.00 2.02 2.16 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 41 P 0.00 5.55 0.00 2.10 2.25 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 42 R 8.42 5.30 0.00 1.73 1.83 0.00 3.06 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 43 A 8.89 5.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.47 5.27 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.98 4.47 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.75 0.00 0.00 46 R 8.29 4.92 0.00 1.77 1.81 0.00 3.29 0.00 0.00 3.38 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.36 0.00 *48 T 8.09 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 49 L 7.83 4.66 0.00 1.78 1.50 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.99 3.63 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 51 T 7.44 4.79 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 52 P 0.00 3.83 0.00 1.96 1.89 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 53 G 7.63 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.44 4.50 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.60 0.00 2.20 2.08 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 56 L 8.48 4.05 0.00 1.68 1.80 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.83 4.59 0.00 3.05 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.26 4.61 0.00 2.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.27 4.20 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.95 3.99 0.00 1.70 1.70 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.56 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.07 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 63 A 8.13 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.87 3.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 65 R 7.98 3.79 0.00 1.97 2.02 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 66 Q 7.97 3.95 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 67 A 8.19 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.06 3.96 0.00 1.75 1.65 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.88 4.29 0.00 4.01 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.59 4.13 0.00 1.98 2.01 0.00 3.16 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 71 L 7.47 4.10 0.00 1.77 1.56 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.44 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 73 G 9.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.27 4.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 75 E 9.01 4.62 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 76 E 8.09 4.73 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 77 V 8.43 4.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.89 0.00 0.00 78 E 9.27 4.48 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 79 V 8.36 4.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.83 0.00 0.00 80 E 8.78 4.42 0.00 1.78 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 81 V 8.21 4.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.81 0.00 0.00 82 T 8.04 4.50 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 83 F 8.64 4.99 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.44 4.65 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 85 P 0.00 4.70 0.00 2.18 2.01 0.00 3.32 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 86 P 0.00 4.77 0.00 2.33 2.23 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 87 W 8.85 4.75 0.00 3.40 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 6.75 4.25 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 89 L 7.87 3.58 0.00 1.72 1.96 1.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.28 4.11 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.55 4.31 0.00 1.82 2.11 0.00 3.24 0.00 0.00 3.50 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.45 0.00 92 L 7.51 4.42 0.00 1.60 1.49 0.49 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.67 4.44 0.00 3.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.59 3.91 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 95 K 7.94 4.05 0.00 1.82 1.73 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 96 A 8.12 3.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.84 3.54 0.00 2.07 1.76 0.00 3.04 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 98 R 7.48 4.59 0.00 1.83 2.01 0.00 3.05 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 99 L 7.57 4.27 0.00 1.88 1.72 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.07 4.11 0.00 0.99 1.46 -0.41 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.51 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 W 7.60 4.65 0.00 3.55 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.